3-chloranyl-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]benzohydrazide Formula: C16H17ClN6O4 MolecularWeight: 392.79698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN6O4/c17-11-4-1-3-10(7-11)16(24)22-21-15-13(23(25)26)14(19-9-20-15)18-8-12-5-2-6-27-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,22,24)(H2,18,19,20,21)